[Wien] Unknown error !
reza osaty
reza.osaty at gmail.com
Tue Feb 21 11:59:18 CET 2006
Dear Lyudmila Dobysheva and wien2k users,
Thanks for your reply.
I * *executed this case with ' runsp_lapw -orb -cc 0.001' so i think
case.energyup must be exist.
But when i executed ' x lapw1 -up' , lapw2 -qtl ran successfully . But when
i executed 'x tetra -up ' , i saw the same unknown error !!!
Please guide me !
Best Regard,
osaty
On 2/21/06, Lyudmila Dobysheva <lyu at otf.pti.udm.ru> wrote:
>
> On Tuesday 21 February 2006 10:26, reza osaty wrote:
> > When I want to run *lapw2 -qtl -up* for calculating D.O.S , I see two
> > errors in two cases:
> > *1- If I compile wien2k_05 with ifort 9.0 and mkl 7.2 then i see :*
> > forrtl: severe (24): end-of-file during read, unit 30, file
> > /home/user1/lapw/case/case.energyup
> > *2. If I use compiled wien2k ( use this file :
> WIEN2k_05_executables.tar)
> > PGFIO-F-217/formatted read/unit=30/attempt to read past end of file.
> > File name = case.energyup formatted, sequential access record = 1
> > In source file fermi.f, at line number 43
>
> Both cases mean that you do not have (or something wrong with) the file
> case.energyup. The second case shows that the problem is during the first
> reading from this file.
> It is to be constructed by lapw1.
> Either you didn't pass lapw1, or something happened with this file between
> lapw1 and *lapw2 -qtl -up*
> Or your lapw1 do not construct it? Maybe some old version had such
> feature?
>
> Best regards
> Lyudmila Dobysheva
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